Simultaneous removal of toxic elements and pharmaceutical compounds at environmentally relevant concentrations in aqueous solution is challenging. Modification of biochar using environmental materials has attracted significant attention in wastewater treatment, while pristine biochar has several limitations in the simultaneous removal of Lead (Pb2+), Copper (Cu2+), and metoprolol. We investigated the efficacy of biochar composites using waste cabbage leaves-derived biochar with kaolinite, and anthocyanin for simultaneous removal of Pb2+, Cu2+, and metoprolol from water. Using ball milling, the surface area and functional groups of adsorbents were improved via breaking the biochar grains into ultrafine particles. Ball-milled biochar derived from waste cabbage leaves significantly increased Pb2+, Cu2+, and metoprolol adsorption by 105, 71, and 213%, respectively. Results of Brunauer Emmett Teller surface area, Fourier transform infrared and X-ray photoelectron spectroscopies showed that surface area of non-milled biochar improved nearly ten-fold following ball-milling, while several oxygen containing acidic functional groups also increased. The adsorbents resulted in high removal efficiency for Pb2+ (162.9 mg/g) and Cu2+ (48.5 mg/g) in ball milled-kaolinite composite biochar (BMKB) and 76.3 mg/g (metoprolol), respectively in ball milled-anthocyanin composite biochar (BMAB). The simultaneous sorption of Pb2+, Cu2+, and metoprolol in an aqueous solution to BMAB and BMKB, showed that the adsorption capacity followed the order of Pb2+ >Cu2+ > metoprolol in both types of ball-milled biochars. BMKB achieved a high adsorption capacity for Pb2+ and Cu2+ (59 mg/g and 50 mg/g), respectively, while BMAB exhibited an adsorption capacity 22.3 mg/g for metoprolol. It was postulated that sorption of Pb2+, Cu2+ and metoprolol involved multiple adsorption mechanisms namely surface complexation, π-π interaction, H−bond, pore filling, and ion bridging. The findings of this study revealed that ball milling is a potential technology in producing a highlyefficient adsorbent to remediate multi-contaminants in aqueous solution.