This paper presents an experimental and numerical investigation on the behavior and failure mechanisms of unreinforced multi-leaf masonry walls. The main objective of this study is to explore the propagation of cracking, ultimate load, and deformation characteristics of different typologies of three-leaf walls commonly found in historic masonry. Axial compression tests on scaled three-leaf wallettes built of limestone units and lime-based mortar, as well as experiments on constituent materials for each leaf, were carried out. The main results obtained from the experimental tests are the mechanical characteristics, stress–strain curves, stress distributions in multi-leaf masonry walls. The research findings elucidate a strong correlation between the bearing capacity of multi-leaf walls and the thickness ratio of the inner-core layer to the external layers. This relationship underscores the critical significance of the inner-core layer in efficiently carrying the applied vertical loads. Furthermore, the extent to which the inner-core layer actively contributes to load-bearing is contingent upon the interconnectivity among the three layers. Walls with keyed collar joints have a higher strength and stiffness than the walls without transverse tying, with the strength being comparatively higher by about 9–13 %. This clarifies the contribution of the inner core layer and that of the two outer layers in resisting vertical loads and enhancing the overall composite behavior of the wall. Finally, these results allow for validating non-linear numerical procedures based on two-dimensional plane strain modelling along wall thickness and a simplified micro-modelling approach, which prove to be adequate tools for detailed modelling of masonry components of similar nature.